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Brian Kolb

Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods
2017 · Brian Kolb, Levi C. Lentz, et al. · Scientific Reports · 118
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High-Dimensional Atomistic Neural Network Potentials for Molecule–Surface Interactions: HCl Scattering from Au(111)
2017 · Brian Kolb, Xuan Luo, et al. · The Journal of Physical Chemistry Letters · 109
Structural evolution of amino acid crystals under stress from a non-empirical density functional
2012 · Riccardo Sabatini, Emine Küçükbenli, et al. · Journal of Physics Condensed Matter · 107
Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes
2017 · Brian Kolb, Paul Marshall, et al. · The Journal of Physical Chemistry A · 92
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Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks
2016 · Brian Kolb, Bin Zhao, et al. · The Journal of Chemical Physics · 61
van der Waals density functional study of energetic, structural, and vibrational properties of small water clusters and ice Ih
2011 · Brian Kolb, T. Thonhauser · Physical Review B · 51
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van der Waals interactions in the ground state of Mg(BH 4 ) 2 from density functional theory
2011 · A. Bil, B. Kolb, et al. · Physical Review B · 51
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Ab Initio Molecular Dynamics Study of Dissociative Chemisorption and Scattering of CO2 on Ni(100): Reactivity, Energy Transfer, Steering Dynamics, and Lattice Effects
2017 · Xueyao Zhou, Brian Kolb, et al. · The Journal of Physical Chemistry C · 48
Experimental and Theoretical Studies on a High Pressure Monoclinic Phase of Ammonia Borane
2012 · Yu Lin, Hongwei Ma, et al. · The Journal of Physical Chemistry C · 44
Binding Interactions in Dimers of Phenalenyl and Closed-Shell Analogues
2013 · Brian Kolb, Miklos Kertesz, et al. · The Journal of Physical Chemistry A · 42
Communication: Energy transfer and reaction dynamics for DCl scattering on Au(111): An ab initio molecular dynamics study
2016 · Brian Kolb, Hua Guo · The Journal of Chemical Physics · 40
Ordering tendencies in the binary alloys of Rh, Pd, Ir, and Pt: Density functional calculations
2006 · Brian Kolb, Stefan Müller, et al. · Physical Review B · 36
Ab initioenergetics and kinetics study of H 2 and CH 4 in the SI clathrate hydrate
2011 · Qi Li, Brian Kolb, et al. · Physical Review B · 34
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First-Principles Design and Analysis of an Efficient, Pb-Free Ferroelectric Photovoltaic Absorber Derived from ZnSnO3
2015 · Brian Kolb, Alexie M. Kolpak · Chemistry of Materials · 31
Structure and energetics of a ferroelectric organic crystal of phenazine and chloranilic acid
2012 · Kyuho Lee, Brian Kolb, et al. · Physical Review B · 27
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Ultrafast band-gap oscillations in iron pyrite
2013 · Brian Kolb, Alexie M. Kolpak · Physical Review B · 22
Nonmetal ordering in TiC1−xNx : Ground-state structure and the effects of finite temperature
2005 · Brian Kolb, Gus L. W. Hart · Physical Review B · 18
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Molecular Biology at the Quantum Level: Can Modern Density Functional Theory Forge the Path?
2016 · Brian Kolb, T. Thonhauser · 9
Molecular Biology at the Quantum Level: Can Modern Density Functional Theory Forge the Path?
2012 · BRIAN KOLB, T. THONHAUSER · Nano LIFE · 9
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Control of valence and conduction band energies in layered transition metal phosphates via surface functionalization
2016 · Levi C. Lentz, Brian Kolb, et al. · Physical Chemistry Chemical Physics · 7
The Combined Influence of Nuclear Quantum Effects and van der Waals Interactions on the Structure of Ambient Water
2014 · McMahon, Jeffrey M., Morales, Miguel A., et al. · arXiv (Cornell University) · 4
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Zinc stannate as a solar cell material
2014 · Brian Kolb, Alexie M. Kolpak · Bulletin of the American Physical Society · 1
Engineering the bandgap of ferroelectric ZnSnO$_3$ via sulfur substitution
2015 · Brian Kolb, Alexie M. Kolpak · Bulletin of the American Physical Society
GW calculations of the bandgap of pyrite under various conditions
2013 · Brian Kolb, Alexie M. Kolpak · Bulletin of the American Physical Society
The Nature of Binding in the Phenalenyl Dimer and its Derivatives
2012 · Brian Kolb, Timo Thonhauser, et al. · Bulletin of the American Physical Society
Works count: 33
Citation count: 963
H-index: 17
I10-index: 17
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